General Information of the Compound
| Compound ID |
CP0543941
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| Compound Name |
(R)-4-[(R)-2-(4-Benzylamino-piperidin-1-yl)-1-cyclohexylmethylsulfanylmethyl-2-oxo-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C31H48N4O4S2
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| Molecular Weight |
604.883
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(CC1)NCc1ccccc1
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| InChI |
InChI=1S/C31H48N4O4S2/c1-31(2,3)39-30(38)35-22-41-21-27(35)28(36)33-26(20-40-19-24-12-8-5-9-13-24)29(37)34-16-14-25(15-17-34)32-18-23-10-6-4-7-11-23/h4,6-7,10-11,24-27,32H,5,8-9,12-22H2,1-3H3,(H,33,36)/t26-,27-/m0/s1
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| InChIKey |
QFCJLNDYZDLCNH-SVBPBHIXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound